Geometry & MOs

Info

ID:	131157
PubChem CID:	51166944
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-119.86
Dipole, Da:	1.73
IP(EA), eV:	-8.9(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-N-methyl-N-[(6-nitroindazol-1-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)OC)CN2C(=O)C3(CCCCCCC3)NC2=O

DOS

IR

Vibrations